ethyl 2-[(4-chlorothiophen-2-yl)methyl-methylamino]acetate

C10H14ClNO2S — CID 141010361

IUPACethyl 2-[(4-chlorothiophen-2-yl)methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)Cc1cc(Cl)cs1
InChIInChI=1S/C10H14ClNO2S/c1-3-14-10(13)6-12(2)5-9-4-8(11)7-15-9/h4,7H,3,5-6H2,1-2H3
InChIKeyRIROLMGEYCTUEE-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.40
Rot. Bonds5

About ethyl 2-[(4-chlorothiophen-2-yl)methyl-methylamino]acetate

ethyl 2-[(4-chlorothiophen-2-yl)methyl-methylamino]acetate (PubChem CID 141010361) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is ethyl 2-[(4-chlorothiophen-2-yl)methyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-chlorothiophen-2-yl)methyl-methylamino]acetate
PubChem CID141010361
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Nameethyl 2-[(4-chlorothiophen-2-yl)methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)Cc1cc(Cl)cs1
InChIInChI=1S/C10H14ClNO2S/c1-3-14-10(13)6-12(2)5-9-4-8(11)7-15-9/h4,7H,3,5-6H2,1-2H3
InChIKeyRIROLMGEYCTUEE-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylacetamide
CID 45798585
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide
CID 51075904
(2S)-2-[(4-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanamide
CID 99841243
(2S)-2-[(5-chlorothiophen-2-yl)methyl-ethylamino]butanoic acid
CID 129401459
4-((3-Chlorothiophen-2-yl)methyl)morpholine
CID 129866218
2-[Bis[(5-chlorothiophen-2-yl)methyl]amino]ethyl acetate
CID 178336788
2-[(5-Chlorothiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258619
2-[1-(5-Chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266345
2-[(4-Chlorothiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79427126
N-[(5-chlorothiophen-2-yl)methyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
CID 112838790
Methyl 2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetate
CID 45797234
Methyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate
CID 47023480

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chlorothiophen-2-yl)methyl-methylamino]acetate?
The IUPAC name of ethyl 2-[(4-chlorothiophen-2-yl)methyl-methylamino]acetate (CID 141010361) is ethyl 2-[(4-chlorothiophen-2-yl)methyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-chlorothiophen-2-yl)methyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[(4-chlorothiophen-2-yl)methyl-methylamino]acetate is CCOC(=O)CN(C)Cc1cc(Cl)cs1.
What is the InChIKey of ethyl 2-[(4-chlorothiophen-2-yl)methyl-methylamino]acetate?
The InChIKey is RIROLMGEYCTUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-3-14-10(13)6-12(2)5-9-4-8(11)7-15-9/h4,7H,3,5-6H2,1-2H3.
What are the key properties of ethyl 2-[(4-chlorothiophen-2-yl)methyl-methylamino]acetate?
ethyl 2-[(4-chlorothiophen-2-yl)methyl-methylamino]acetate has a molecular weight of 247.75 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chlorothiophen-2-yl)methyl-methylamino]acetate is sourced from PubChem (CID 141010361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).